| Identification | Back Directory | [Name]
5-FLUORO-1,2-DIHYDRO-2-OXO-SPIRO[3H-INDOLE-3,4'-PIPERIDINE]-1'-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER | [CAS]
866028-06-0 | [Synonyms]
-Boc-5-fluoro-1,2-dihydro-2-oxo-spiro[3h-indole-3,4&rsquo 1'-Boc-5-Fluoro-1,2-dihydro-2-oxo-spiro[3H-indole-3,4'-piperidine] tert-butyl 5-fluoro-2-oxospiro[indoline-3,4'-piperidine]-1'-carboxylate tert-butyl 5-fluoro-2-oxospiro[1H-indole-3,4'-piperidine]-1'-carboxylate tert-Butyl 5-fluoro-2-oxo-1,2-dihydrospiro[indole-3,4'-piperidine]-1'-carboxylat tert-Butyl 5-fluoro-2-oxo-1,2-dihydro-1'H-spiro[indole-3,4'-piperidine]-1'-carboxylate 5-FLUORO-1,2-DIHYDRO-2-OXO-SPIRO[3H-INDOLE-3,4'-PIPERIDINE]-1'-CARBOXYLIC ACID 1,1-DIMETHYLETHYL ESTER Spiro[3H-indole-3,4'-piperidine]-1'-carboxylic acid, 5-fluoro-1,2-dihydro-2-oxo-, 1,1-dimethylethyl ester | [Molecular Formula]
C17H21FN2O3 | [MDL Number]
MFCD10566054 | [MOL File]
866028-06-0.mol | [Molecular Weight]
320.36 |
| Chemical Properties | Back Directory | [Boiling point ]
473.6±45.0 °C(Predicted) | [density ]
1.27±0.1 g/cm3(Predicted) | [storage temp. ]
2-8°C | [pka]
12.54±0.20(Predicted) | [Appearance]
White to off-white Solid |
| Hazard Information | Back Directory | [Synthesis]
General procedure for the synthesis of 1'-BOC-5-fluoro-1,2-dihydro-2-oxo-spiro[3H-indole-3,4'-piperidine] from 5-fluoroindol-2-one and tert-butyl N,N-bis(2-chloroethyl)carbamate: to a stirred solution of 5-fluoroindol-2-one (1.80 g, 11.9 mmol) in tetrahydrofuran (30 mL) at -78 °C A tetrahydrofuran solution (35.7 mL, 35.7 mmol) of 1 M sodium bis(trimethylmethylsilyl)amide was slowly added dropwise for 15 min. The reaction mixture was continued to be stirred at the same temperature for 1.5 hours. Subsequently, tert-butyl N,N-bis(2-chloroethyl)carbamate (2.88 g, 11.9 mmol) solution of tetrahydrofuran (10 mL) was added dropwise to the reaction mixture at -78 °C. After dropwise addition, the reaction mixture was slowly warmed to room temperature and stirred at that temperature for 19 hours. Upon completion of the reaction, the reaction was quenched by the addition of an aqueous ammonium chloride solution and the reaction mixture was subsequently concentrated to give a brown residue. The crude product was partitioned between ethyl acetate and water and the organic layer was washed with brine, dried over anhydrous sodium sulfate and the solvent evaporated. The residue was purified by column chromatography on silica gel (100 g) using hexane/acetone (3/1) as eluent, resulting in 356 mg (15% yield) of 1'-BOC-5-fluoro-1,2-dihydro-2-oxo-spiro[3H-indole-3,4'-piperidine] as a light brown slurry. The product was confirmed by 1H-NMR (CDCl3) and mass spectrometry (ESI): 1H-NMR (CDCl3) δ 8.56 (1H, br.s), 7.03-6.83 (3H, m), 3.89-3.69 (4H, m), 1.92-1.72 (4H, m), 1.50 (9H, s); MS (ESI) 319 (M-H)- . | [References]
[1] Patent: WO2005/92858, 2005, A2. Location in patent: Page/Page column 60 [2] Patent: WO2014/60411, 2014, A1. Location in patent: Page/Page column 40 |
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| Company Name: |
SPIRO PHARMA
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| Tel: |
|
| Website: |
www.spiropharma.com.cn |
| Company Name: |
Biokitchen
|
| Tel: |
021-021-021-31663258 13795219287 |
| Website: |
www.chemicalbook.com/ShowSupplierProductsList20174/0_EN.htm |
| Company Name: |
Wuxi AppTec
|
| Tel: |
022-59987777 13552403979 |
| Website: |
www.labnetwork.com |
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